Fast anharmonic free energy method with an application to vacancies in ZrC

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Authors: Thomas A. Mellan, Andrew I. Duff, Blazej Grabowski, Michael W. Finnis

Journal title: Physical Review B

Journal number: 100/2

Journal publisher: American Physical Society

Published year: 2019

DOI identifier: 10.1103/physrevb.100.024303

ISSN: 2469-9950